Crystal structure determination is fundamental in materials science, particularly when studying previously unreported compounds. In academic contexts, X-ray diffraction is one of the most widely used ...

Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining crystal structures from powder X-ray diffraction ...

Every crystal's shape is a mirror of the internal arrangement of its molecules, but the molecules in photoswitchable crystals can expand, twist and change properties—from their color to their ...

A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational method that can efficiently determine the crystal structures of multiphase ...

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...

BUFFALO, N.Y. — University at Buffalo chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their ...

UB chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their molecules, but the molecules in ...